Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465780e+01 -1.351387940465781e+01 5.000000000000000e-13 7.105427357601002e-15 PASS
Energy [step 52] -1.351350086579652e+01 -1.351350086579652e+01 5.000000000000000e-13 1.776356839400250e-15 PASS
Multipoles [step 0] 2.510374433464131e-16 0.000000000000000e+00 1.000000000000000e-15 2.510374433464131e-16 PASS
Multipoles [step 52] -3.793333093335305e-03 -3.793333093268998e-03 1.000000000000000e-13 -6.630676910313049e-14 PASS
Compare to other inputs